#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h88 n ILE 2 N 0.00 0.00 -0.06 0.00 5.41 -1.26 -4.67 119.36 118.78 3h88 n ILE 2 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 3h88 n ILE 2 Cb 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 38.78 3h88 n ILE 2 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3h88 n VAL 3 N 0.00 1.54 -3.52 1.39 0.31 0.35 -4.92 118.33 113.48 3h88 n VAL 3 Ca 0.00 -0.79 -0.14 0.00 -0.01 0.00 0.00 64.34 63.39 3h88 n VAL 3 Cb 0.00 -0.91 -0.05 0.00 -0.91 0.00 0.00 33.84 31.97 3h88 n VAL 3 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3h88 s GLY 4 N -5.38 -0.50 -0.01 2.92 0.00 -1.12 -4.98 107.32 98.26 3h88 s GLY 4 Ca -0.10 1.35 0.01 0.00 0.00 0.00 0.00 44.72 45.98 3h88 s GLY 4 CO 0.81 0.81 -0.04 -2.27 0.00 0.00 0.00 173.10 172.41 3h88 s LEU 5 N -1.51 1.88 0.00 0.66 2.96 -1.25 -1.43 118.68 119.99 3h88 s LEU 5 Ca -0.06 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 3h88 s LEU 5 Cb -0.00 -0.23 -0.00 0.00 0.50 0.00 0.00 46.19 46.45 3h88 s LEU 5 CO 0.03 0.03 0.12 -0.83 -1.32 0.00 0.00 176.35 174.38 3h88 s GLY 6 N 0.08 0.07 0.03 7.98 0.00 -0.24 -3.58 107.32 111.65 3h88 s GLY 6 Ca -0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 44.72 44.43 3h88 s GLY 6 CO -0.00 -0.31 0.21 -1.08 0.00 0.00 0.00 173.10 171.92 3h88 s THR 7 N -1.36 0.10 -0.15 0.90 -1.32 -1.26 -1.05 115.64 111.50 3h88 s THR 7 Ca -0.15 -0.79 -0.23 0.00 -1.21 0.00 0.00 61.69 59.32 3h88 s THR 7 Cb -0.08 -0.80 0.06 0.00 -1.51 0.00 0.00 72.50 70.17 3h88 s THR 7 CO 0.01 -0.43 0.59 -0.62 -2.21 0.00 0.00 174.62 171.95 3h88 s ASP 8 N -1.87 -0.58 0.00 8.08 2.15 -0.72 -4.50 116.67 119.23 3h88 s ASP 8 Ca -0.08 0.92 0.05 0.00 0.43 0.00 0.00 52.55 53.87 3h88 s ASP 8 Cb -0.03 0.91 -0.01 0.00 -0.30 0.00 0.00 42.92 43.49 3h88 s ASP 8 CO -0.02 -0.36 -0.16 -0.51 -0.17 0.00 0.00 175.17 173.96 3h88 s ILE 9 N -0.33 1.26 -0.01 4.11 2.07 -1.26 -1.84 121.20 125.19 3h88 s ILE 9 Ca -0.05 -0.77 0.02 0.00 -1.41 0.00 0.00 60.65 58.44 3h88 s ILE 9 Cb -0.03 -1.06 -0.00 0.00 0.13 0.00 0.00 42.46 41.49 3h88 s ILE 9 CO 0.04 0.28 -0.08 0.00 -1.91 0.00 0.00 174.94 173.27 3h88 s ALA 10 N -0.48 0.68 -0.24 1.50 0.00 0.60 -5.00 121.76 118.82 3h88 s ALA 10 Ca 0.05 -0.31 -0.25 0.00 0.00 0.00 0.00 51.96 51.45 3h88 s ALA 10 Cb -0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 3h88 s ALA 10 CO -0.00 0.14 0.83 -2.00 0.00 0.00 0.00 175.76 174.74 3h88 s GLU 11 N -0.04 4.19 0.19 0.00 2.12 -1.26 -1.18 118.70 122.72 3h88 s GLU 11 Ca 0.01 0.96 -0.09 0.00 0.36 0.00 0.00 54.97 56.20 3h88 s GLU 11 Cb -0.05 -3.64 0.10 0.00 0.26 0.00 0.00 34.13 30.80 3h88 s GLU 11 CO -0.00 -0.51 1.71 0.82 -0.54 0.00 0.00 175.26 176.73 3h88 h ILE 12 N 5.42 1.26 -0.91 -3.70 2.04 -1.40 -2.84 117.51 117.38 3h88 h ILE 12 Ca -0.23 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 64.72 3h88 h ILE 12 Cb 1.09 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 3h88 h ILE 12 CO 0.87 0.36 0.60 -0.08 0.00 0.00 0.00 178.15 179.90 3h88 h GLU 13 N 1.01 1.13 -0.44 2.37 4.81 -1.92 -1.23 114.58 120.31 3h88 h GLU 13 Ca 0.21 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3h88 h GLU 13 Cb 0.35 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3h88 h GLU 13 CO 0.00 0.75 0.06 0.00 -0.73 0.00 0.00 179.01 179.09 3h88 h ARG 14 N 1.17 0.69 -0.49 1.92 3.08 -1.89 0.37 114.38 119.23 3h88 h ARG 14 Ca 0.35 -0.15 -0.13 0.00 0.07 0.00 0.00 59.98 60.13 3h88 h ARG 14 Cb -0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3h88 h ARG 14 CO -0.10 0.67 -0.19 0.28 -1.07 0.00 0.00 179.97 179.55 3h88 h VAL 15 N 0.66 1.27 -0.52 2.04 2.07 -1.30 -1.92 116.25 118.55 3h88 h VAL 15 Ca 0.14 -1.36 -0.05 0.00 0.82 0.00 0.00 66.70 66.26 3h88 h VAL 15 Cb 0.33 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3h88 h VAL 15 CO 0.01 0.47 0.15 -0.33 0.02 0.00 0.00 177.57 177.88 3h88 h GLU 16 N 0.86 0.82 -0.51 1.57 5.08 -0.75 -0.95 114.58 120.70 3h88 h GLU 16 Ca 0.12 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3h88 h GLU 16 Cb 0.77 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3h88 h GLU 16 CO 0.06 0.77 0.33 0.87 -1.00 0.00 0.00 179.01 180.04 3h88 h LYS 17 N 0.72 0.67 -0.91 2.33 1.57 -0.88 -0.18 116.57 119.89 3h88 h LYS 17 Ca 0.17 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3h88 h LYS 17 Cb 0.30 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3h88 h LYS 17 CO -0.00 0.45 0.51 0.00 -0.57 0.00 0.00 179.45 179.85 3h88 h ALA 18 N 1.18 1.18 -0.38 3.86 0.00 -1.00 -2.25 119.26 121.86 3h88 h ALA 18 Ca 0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3h88 h ALA 18 Cb -0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 3h88 h ALA 18 CO -0.04 0.67 0.03 -0.07 0.00 0.00 0.00 179.25 179.84 3h88 h LEU 19 N 1.27 0.62 -2.15 0.00 3.38 -0.73 -0.25 115.31 117.45 3h88 h LEU 19 Ca 0.32 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 58.08 3h88 h LEU 19 Cb 0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3h88 h LEU 19 CO -0.05 0.75 0.25 0.00 0.09 0.00 0.00 178.44 179.47 3h88 h ALA 20 N 0.89 1.94 0.00 1.53 0.00 -0.58 0.36 119.26 123.40 3h88 h ALA 20 Ca 0.11 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3h88 h ALA 20 Cb 0.42 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3h88 h ALA 20 CO 0.01 -0.37 -1.05 0.54 0.00 0.00 0.00 179.25 178.38 3h88 n ARG 21 N -3.90 0.53 0.00 0.00 5.12 -0.89 -4.75 116.66 112.77 3h88 n ARG 21 Ca 0.03 0.55 0.02 0.00 -1.93 0.00 0.00 57.85 56.52 3h88 n ARG 21 Cb 0.39 -1.72 -0.01 0.00 -1.16 0.00 0.00 32.46 29.96 3h88 n ARG 21 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3h88 n SER 22 N -4.49 0.53 0.00 0.55 7.64 -0.13 -5.06 113.62 112.66 3h88 n SER 22 Ca -0.24 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 58.87 3h88 n SER 22 Cb 0.55 0.67 0.00 0.00 -1.01 0.00 0.00 64.21 64.42 3h88 n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h88 n GLY 23 N 0.79 2.76 0.38 0.23 0.00 0.12 -1.82 105.19 107.64 3h88 n GLY 23 Ca 0.01 0.07 0.16 0.00 0.00 0.00 0.00 46.02 46.26 3h88 n GLY 23 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h88 h GLU 24 N 0.00 0.44 -0.11 1.61 4.57 -1.96 0.22 114.58 119.36 3h88 h GLU 24 Ca 0.00 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 3h88 h GLU 24 Cb 0.00 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 3h88 h GLU 24 CO 0.00 0.29 -0.13 -0.91 -1.18 0.00 0.00 179.01 177.08 3h88 h ASN 25 N 0.46 0.16 0.15 1.04 2.35 -1.79 0.21 115.58 118.16 3h88 h ASN 25 Ca 0.41 -0.03 -0.21 0.00 -0.55 0.00 0.00 56.30 55.92 3h88 h ASN 25 Cb 0.90 -0.04 0.02 0.00 0.05 0.00 0.00 38.32 39.25 3h88 h ASN 25 CO -0.15 0.32 -0.94 0.15 -1.65 0.00 0.00 177.43 175.16 3h88 h PHE 26 N 0.17 0.58 -0.77 1.19 3.57 -0.56 -3.24 116.94 117.88 3h88 h PHE 26 Ca 0.04 -0.42 -0.01 0.00 3.53 0.00 0.00 57.97 61.10 3h88 h PHE 26 Cb 0.34 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 3h88 h PHE 26 CO 0.00 1.36 0.44 0.00 -2.23 0.00 0.00 178.31 177.88 3h88 h ALA 27 N 0.07 0.99 0.00 2.41 0.00 -1.01 -1.74 119.26 119.98 3h88 h ALA 27 Ca -0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3h88 h ALA 27 Cb 1.71 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3h88 h ALA 27 CO 0.15 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.89 3h88 h ARG 28 N 1.06 0.00 -0.19 0.00 3.08 -1.08 0.14 114.38 117.39 3h88 h ARG 28 Ca 0.27 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.21 3h88 h ARG 28 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3h88 h ARG 28 CO -0.05 0.00 -0.37 0.00 -1.07 0.00 0.00 179.97 178.49 3h88 h ARG 29 N 0.00 0.40 0.04 0.04 3.08 -1.33 -3.33 114.38 113.28 3h88 h ARG 29 Ca 0.00 -0.18 -0.36 0.00 0.07 0.00 0.00 59.98 59.50 3h88 h ARG 29 Cb 0.26 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 3h88 h ARG 29 CO 0.00 0.72 -2.17 -0.89 -1.07 0.00 0.00 179.97 176.56 3h88 n ILE 30 N -4.05 1.58 -4.08 2.04 2.08 -0.81 -4.57 119.36 111.56 3h88 n ILE 30 Ca -0.01 -0.70 -0.31 0.00 0.56 0.00 0.00 62.75 62.29 3h88 n ILE 30 Cb 0.47 -1.25 -0.07 0.00 -0.75 0.00 0.00 39.64 38.04 3h88 n ILE 30 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3h88 s LEU 31 N -6.39 3.83 0.70 1.39 1.43 0.41 -4.48 118.68 115.57 3h88 s LEU 31 Ca -0.21 0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 3h88 s LEU 31 Cb 0.07 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 43.91 3h88 s LEU 31 CO 0.74 0.21 1.09 0.42 0.23 0.00 0.00 176.35 179.04 3h88 s THR 32 N -1.30 3.59 0.36 5.49 -4.23 -1.26 -4.64 115.64 113.64 3h88 s THR 32 Ca 0.27 0.52 0.15 0.00 -1.18 0.00 0.00 61.69 61.44 3h88 s THR 32 Cb -0.12 -3.50 0.36 0.00 1.34 0.00 0.00 72.50 70.58 3h88 s THR 32 CO 0.19 -0.67 1.73 0.44 -0.54 0.00 0.00 174.62 175.76 3h88 h ASP 33 N -0.64 0.54 0.25 3.99 3.32 -1.98 -0.20 116.42 121.70 3h88 h ASP 33 Ca -0.45 0.13 -0.15 0.00 0.02 0.00 0.00 57.03 56.58 3h88 h ASP 33 Cb 1.25 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 3h88 h ASP 33 CO 0.63 0.04 -0.58 0.28 -1.72 0.00 0.00 179.24 177.89 3h88 h SER 34 N 0.44 0.38 1.15 6.45 0.02 -2.02 -2.81 113.55 117.15 3h88 h SER 34 Ca 0.66 -0.21 -0.08 0.00 -0.84 0.00 0.00 61.79 61.31 3h88 h SER 34 Cb 1.50 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 3h88 h SER 34 CO -0.43 0.88 -0.38 -0.33 -1.14 0.00 0.00 176.83 175.43 3h88 h GLU 35 N 0.26 0.00 -0.49 3.45 5.08 -1.43 -3.11 114.58 118.33 3h88 h GLU 35 Ca -0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 3h88 h GLU 35 Cb 1.10 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 3h88 h GLU 35 CO 0.10 0.38 0.34 -0.07 -1.00 0.00 0.00 179.01 178.75 3h88 h LEU 36 N 0.00 0.21 -0.32 1.33 3.38 -0.99 -1.48 115.31 117.44 3h88 h LEU 36 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3h88 h LEU 36 Cb 1.05 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3h88 h LEU 36 CO 0.05 0.13 0.08 -0.08 0.09 0.00 0.00 178.44 178.70 3h88 h GLU 37 N 0.24 0.52 -0.17 1.13 4.81 -1.60 0.11 114.58 119.61 3h88 h GLU 37 Ca 0.23 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 3h88 h GLU 37 Cb 0.59 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3h88 h GLU 37 CO -0.04 0.58 -0.46 1.96 -0.73 0.00 0.00 179.01 180.32 3h88 h GLN 38 N 0.37 0.44 -0.03 1.92 4.20 -1.63 -2.58 115.11 117.80 3h88 h GLN 38 Ca 0.10 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 3h88 h GLN 38 Cb 0.30 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 3h88 h GLN 38 CO 0.00 0.82 0.02 0.35 -0.67 0.00 0.00 178.83 179.35 3h88 h PHE 39 N 0.36 0.05 -0.78 2.96 3.57 -0.91 -2.49 116.94 119.69 3h88 h PHE 39 Ca 0.02 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.58 3h88 h PHE 39 Cb 0.95 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 3h88 h PHE 39 CO 0.03 0.10 0.51 0.45 -2.23 0.00 0.00 178.31 177.17 3h88 h HIS 40 N -0.02 0.85 0.00 0.41 3.86 -0.74 -1.25 115.15 118.26 3h88 h HIS 40 Ca 0.01 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3h88 h HIS 40 Cb 0.07 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.26 3h88 h HIS 40 CO -0.05 0.45 0.00 0.00 0.86 0.00 0.00 177.93 179.19 3h88 h ALA 41 N 1.58 1.00 -2.50 2.45 0.00 -1.04 -3.45 119.26 117.29 3h88 h ALA 41 Ca 0.33 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.75 3h88 h ALA 41 Cb 0.23 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.07 3h88 h ALA 41 CO -0.11 0.00 0.42 0.45 0.00 0.00 0.00 179.25 180.00 3h88 s SER 42 N -5.63 5.98 -0.01 0.00 0.15 -0.47 -4.95 113.70 108.77 3h88 s SER 42 Ca 0.01 2.09 0.15 0.00 0.70 0.00 0.00 55.95 58.89 3h88 s SER 42 Cb 0.09 -2.57 0.43 0.00 -1.71 0.00 0.00 66.02 62.26 3h88 s SER 42 CO 0.53 -1.04 1.36 0.29 1.20 0.00 0.00 173.24 175.58 3h88 n LYS 43 N -1.14 2.85 -3.16 5.44 5.02 -1.26 -4.49 118.16 121.42 3h88 n LYS 43 Ca 0.11 -2.28 -0.21 0.00 -2.02 0.00 0.00 58.31 53.90 3h88 n LYS 43 Cb 0.51 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 34.09 3h88 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h88 n GLN 44 N 0.87 1.41 -0.03 1.97 10.64 -1.26 -4.99 117.38 125.99 3h88 n GLN 44 Ca 0.16 -3.69 0.03 0.00 -1.83 0.00 0.00 57.00 51.68 3h88 n GLN 44 Cb 0.51 -1.73 0.39 0.00 -0.86 0.00 0.00 30.24 28.55 3h88 n GLN 44 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3h88 h GLN 45 N 3.28 0.60 -0.41 2.61 4.20 -1.88 -1.63 115.11 121.88 3h88 h GLN 45 Ca 0.11 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 3h88 h GLN 45 Cb 0.85 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 3h88 h GLN 45 CO 0.57 0.42 0.12 0.78 -0.67 0.00 0.00 178.83 180.04 3h88 h GLY 46 N 0.64 0.70 1.04 3.46 0.00 -1.94 -0.05 103.07 106.93 3h88 h GLY 46 Ca 0.16 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 3h88 h GLY 46 CO -0.03 0.40 -0.04 3.21 0.00 0.00 0.00 176.54 180.07 3h88 h ARG 47 N 0.53 0.94 -0.04 4.80 3.08 -1.80 -0.03 114.38 121.86 3h88 h ARG 47 Ca 0.13 -0.32 0.03 0.00 0.07 0.00 0.00 59.98 59.89 3h88 h ARG 47 Cb 0.29 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3h88 h ARG 47 CO -0.00 0.98 -0.12 0.35 -1.07 0.00 0.00 179.97 180.11 3h88 h PHE 48 N 0.81 -0.31 -0.41 3.04 3.57 -1.18 -2.33 116.94 120.12 3h88 h PHE 48 Ca 0.14 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.53 3h88 h PHE 48 Cb 0.58 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 3h88 h PHE 48 CO 0.04 -0.18 -0.23 1.25 -2.23 0.00 0.00 178.31 176.95 3h88 h LEU 49 N -0.19 0.86 -0.84 0.59 5.85 -0.88 -2.42 115.31 118.29 3h88 h LEU 49 Ca 0.06 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 3h88 h LEU 49 Cb 0.27 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3h88 h LEU 49 CO -0.15 1.06 0.39 0.00 -0.34 0.00 0.00 178.44 179.39 3h88 h ALA 50 N 1.00 1.08 -0.45 1.25 0.00 -0.82 0.23 119.26 121.55 3h88 h ALA 50 Ca 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3h88 h ALA 50 Cb 0.77 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3h88 h ALA 50 CO 0.06 0.66 0.24 0.87 0.00 0.00 0.00 179.25 181.09 3h88 h LYS 51 N 1.20 0.64 -0.61 0.00 1.57 -1.29 -1.19 116.57 116.88 3h88 h LYS 51 Ca 0.29 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 3h88 h LYS 51 Cb 0.14 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3h88 h LYS 51 CO -0.03 0.51 0.03 0.00 -0.57 0.00 0.00 179.45 179.39 3h88 h ARG 52 N 0.59 1.05 -0.19 3.15 2.47 -1.01 -1.31 114.38 119.13 3h88 h ARG 52 Ca 0.16 -0.32 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 3h88 h ARG 52 Cb 0.07 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 3h88 h ARG 52 CO -0.02 1.02 0.12 0.35 0.56 0.00 0.00 179.97 181.99 3h88 h PHE 53 N 0.96 0.25 -0.47 3.04 3.57 -0.38 -0.79 116.94 123.12 3h88 h PHE 53 Ca 0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3h88 h PHE 53 Cb 0.52 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3h88 h PHE 53 CO 0.04 0.17 0.31 0.00 -2.23 0.00 0.00 178.31 176.60 3h88 h ALA 54 N 1.05 0.59 -0.47 2.41 0.00 -1.08 -1.05 119.26 120.72 3h88 h ALA 54 Ca 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3h88 h ALA 54 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3h88 h ALA 54 CO -0.01 0.04 0.31 0.00 0.00 0.00 0.00 179.25 179.59 3h88 h ALA 55 N 1.17 0.59 -0.17 0.00 0.00 -1.00 0.05 119.26 119.90 3h88 h ALA 55 Ca 0.17 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 3h88 h ALA 55 Cb -0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3h88 h ALA 55 CO -0.04 0.03 -0.57 0.87 0.00 0.00 0.00 179.25 179.55 3h88 h LYS 56 N 0.63 0.54 -0.39 0.00 1.57 -0.94 -0.88 116.57 117.09 3h88 h LYS 56 Ca 0.17 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 3h88 h LYS 56 Cb -0.07 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3h88 h LYS 56 CO -0.04 0.96 0.01 0.93 -0.57 0.00 0.00 179.45 180.74 3h88 h GLU 57 N 0.41 0.68 -0.66 3.15 5.08 -0.92 -0.57 114.58 121.76 3h88 h GLU 57 Ca 0.00 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3h88 h GLU 57 Cb 1.12 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 3h88 h GLU 57 CO 0.11 0.77 0.41 0.00 -1.00 0.00 0.00 179.01 179.29 3h88 h ALA 58 N 0.89 0.86 -0.70 3.43 0.00 -0.92 -1.66 119.26 121.17 3h88 h ALA 58 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h88 h ALA 58 Cb 0.45 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3h88 h ALA 58 CO 0.02 0.16 0.45 0.00 0.00 0.00 0.00 179.25 179.88 3h88 h ALA 59 N 1.29 0.88 -0.10 0.00 0.00 -0.86 -1.17 119.26 119.31 3h88 h ALA 59 Ca 0.27 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3h88 h ALA 59 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3h88 h ALA 59 CO -0.11 0.33 -0.23 0.66 0.00 0.00 0.00 179.25 179.90 3h88 h SER 60 N 0.95 0.16 -0.03 0.00 4.64 -0.75 -1.34 113.55 117.18 3h88 h SER 60 Ca 0.25 -0.04 -0.23 0.00 -0.47 0.00 0.00 61.79 61.30 3h88 h SER 60 Cb -0.08 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3h88 h SER 60 CO -0.05 0.40 -0.85 0.11 -0.87 0.00 0.00 176.83 175.57 3h88 h LYS 61 N 0.16 0.70 -0.19 4.77 1.57 -0.82 -0.47 116.57 122.29 3h88 h LYS 61 Ca 0.03 -0.63 -0.01 0.00 -1.87 0.00 0.00 60.65 58.17 3h88 h LYS 61 Cb 0.50 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3h88 h LYS 61 CO 0.03 1.23 0.08 0.00 -0.57 0.00 0.00 179.45 180.23 3h88 h ALA 62 N 0.57 1.79 0.00 3.86 0.00 -0.68 -1.48 119.26 123.33 3h88 h ALA 62 Ca -0.07 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3h88 h ALA 62 Cb 1.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3h88 h ALA 62 CO 0.17 0.18 -0.40 1.25 0.00 0.00 0.00 179.25 180.44 3h88 h LEU 63 N 0.26 0.00 0.00 0.00 5.85 -1.15 -3.34 115.31 116.94 3h88 h LEU 63 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3h88 h LEU 63 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3h88 h LEU 63 CO -0.01 0.40 0.00 0.61 -0.34 0.00 0.00 178.44 179.10 3h88 n GLY 64 N 0.41 0.80 0.02 3.75 0.00 -0.56 -4.94 105.19 104.68 3h88 n GLY 64 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3h88 n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h88 n THR 65 N -2.01 0.30 -4.33 2.61 -2.24 -1.15 -5.04 114.28 102.41 3h88 n THR 65 Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3h88 n THR 65 Cb 0.00 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 3h88 n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h88 n GLY 66 N 2.74 -1.42 3.48 3.38 0.00 -0.20 -4.13 105.19 109.04 3h88 n GLY 66 Ca -0.07 -1.25 -0.44 0.00 0.00 0.00 0.00 46.02 44.27 3h88 n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h88 s ILE 67 N 0.00 4.74 0.06 -0.61 -1.09 -1.26 -4.78 121.20 118.26 3h88 s ILE 67 Ca 0.00 -2.11 -0.26 0.00 -2.23 0.00 0.00 60.65 56.05 3h88 s ILE 67 Cb 0.00 -4.93 0.09 0.00 -1.58 0.00 0.00 42.46 36.04 3h88 s ILE 67 CO 0.00 -1.67 1.19 0.00 -1.23 0.00 0.00 174.94 173.23 3h88 s ALA 68 N 2.49 -2.13 -1.20 9.38 0.00 -1.04 -4.95 121.76 124.31 3h88 s ALA 68 Ca 0.42 -0.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.27 3h88 s ALA 68 Cb -0.02 0.82 0.03 0.00 0.00 0.00 0.00 23.12 23.94 3h88 s ALA 68 CO -0.02 -1.11 0.26 1.04 0.00 0.00 0.00 175.76 175.92 3h88 n GLN 69 N -0.80 -2.98 -0.13 0.00 1.13 -1.26 -1.24 117.38 112.09 3h88 n GLN 69 Ca 0.01 0.58 0.00 0.00 -1.94 0.00 0.00 57.00 55.65 3h88 n GLN 69 Cb 0.59 -5.25 0.00 0.00 0.11 0.00 0.00 30.24 25.69 3h88 n GLN 69 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h88 n GLY 70 N -1.03 0.96 3.71 1.08 0.00 -1.26 -5.03 105.19 103.62 3h88 n GLY 70 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 3h88 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h88 s VAL 71 N -2.50 5.00 0.36 1.61 1.01 -0.37 -4.50 120.40 121.00 3h88 s VAL 71 Ca 0.00 1.55 0.05 0.00 0.00 0.00 0.00 61.98 63.58 3h88 s VAL 71 Cb 0.00 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 3h88 s VAL 71 CO 0.00 0.21 0.04 0.42 0.00 0.00 0.00 175.10 175.77 3h88 s THR 72 N 1.00 1.50 0.51 3.92 -4.23 -1.26 -2.50 115.64 114.59 3h88 s THR 72 Ca 0.40 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.07 3h88 s THR 72 Cb -0.18 -2.87 0.26 0.00 1.34 0.00 0.00 72.50 71.05 3h88 s THR 72 CO 0.19 -0.00 2.14 -0.26 -0.54 0.00 0.00 174.62 176.14 3h88 h PHE 73 N 1.98 0.00 0.00 3.99 0.04 -1.88 -1.74 116.94 119.33 3h88 h PHE 73 Ca -0.42 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.35 3h88 h PHE 73 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 3h88 h PHE 73 CO 0.64 0.03 0.00 0.72 -0.60 0.00 0.00 178.31 179.09 3h88 n HIS 74 N -4.45 0.00 1.48 -0.55 8.25 -1.26 -2.67 115.22 116.01 3h88 n HIS 74 Ca -0.03 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.57 3h88 n HIS 74 Cb 0.11 -0.07 0.51 0.00 1.12 0.00 0.00 29.99 31.66 3h88 n HIS 74 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3h88 n ASP 75 N -1.07 1.55 -3.99 0.41 8.00 -0.65 -4.76 116.55 116.04 3h88 n ASP 75 Ca 0.13 -1.51 -0.27 0.00 0.71 0.00 0.00 54.79 53.85 3h88 n ASP 75 Cb 0.08 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.02 3h88 n ASP 75 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3h88 s PHE 76 N -2.01 1.64 -0.11 1.24 0.08 -1.09 -0.37 117.98 117.36 3h88 s PHE 76 Ca 0.37 -0.75 0.04 0.00 0.12 0.00 0.00 56.93 56.71 3h88 s PHE 76 Cb 0.21 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.41 3h88 s PHE 76 CO 0.34 -0.43 -0.23 0.99 -0.10 0.00 0.00 175.22 175.78 3h88 s THR 77 N 1.15 2.08 -0.19 0.64 2.01 -0.16 -4.78 115.64 116.40 3h88 s THR 77 Ca -0.05 -1.00 -0.09 0.00 0.31 0.00 0.00 61.69 60.86 3h88 s THR 77 Cb -0.14 -1.80 -0.05 0.00 0.01 0.00 0.00 72.50 70.52 3h88 s THR 77 CO -0.03 0.56 0.13 -0.63 -0.69 0.00 0.00 174.62 173.96 3h88 s ILE 78 N 0.46 5.43 0.04 1.82 1.09 -1.26 -1.29 121.20 127.49 3h88 s ILE 78 Ca -0.16 0.20 0.00 0.00 -1.10 0.00 0.00 60.65 59.59 3h88 s ILE 78 Cb -0.17 -3.46 -0.00 0.00 -1.06 0.00 0.00 42.46 37.77 3h88 s ILE 78 CO 0.06 0.47 0.02 -1.54 -0.10 0.00 0.00 174.94 173.85 3h88 n SER 79 N 3.24 0.89 -3.99 3.58 3.41 -0.23 -4.94 113.62 115.60 3h88 n SER 79 Ca -0.17 -1.23 -0.09 0.00 -0.26 0.00 0.00 58.87 57.13 3h88 n SER 79 Cb 0.53 0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.49 3h88 n SER 79 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3h88 s HIS 80 N -1.73 0.31 0.59 7.33 3.76 -1.26 -0.52 115.29 123.77 3h88 s HIS 80 Ca 0.02 -0.68 -0.04 0.00 -0.15 0.00 0.00 55.06 54.21 3h88 s HIS 80 Cb 0.00 -0.23 0.12 0.00 1.11 0.00 0.00 32.58 33.59 3h88 s HIS 80 CO 0.02 -0.33 0.81 -0.40 -0.85 0.00 0.00 174.74 173.98 3h88 n ASP 81 N 0.75 0.72 0.25 1.40 5.68 -0.46 -4.92 116.55 119.97 3h88 n ASP 81 Ca -0.19 -1.69 0.14 0.00 -0.50 0.00 0.00 54.79 52.55 3h88 n ASP 81 Cb 0.59 -0.56 0.54 0.00 -1.14 0.00 0.00 41.12 40.55 3h88 n ASP 81 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3h88 h LYS 82 N 0.00 0.00 -0.01 0.11 1.57 -2.02 -0.96 116.57 115.26 3h88 h LYS 82 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3h88 h LYS 82 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3h88 h LYS 82 CO 0.25 0.07 -0.08 1.28 -0.57 0.00 0.00 179.45 180.40 3h88 n LEU 83 N -3.18 1.35 0.00 2.94 4.77 -1.26 -4.94 117.00 116.68 3h88 n LEU 83 Ca 0.01 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 3h88 n LEU 83 Cb 0.38 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3h88 n LEU 83 CO 0.30 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3h88 n GLY 84 N 1.23 0.77 3.71 -0.72 0.00 -0.36 -5.07 105.19 104.76 3h88 n GLY 84 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3h88 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h88 s LYS 85 N -0.94 4.38 0.43 1.61 2.20 -1.26 -4.76 119.74 121.40 3h88 s LYS 85 Ca 0.00 1.88 -0.22 0.00 -0.36 0.00 0.00 55.97 57.27 3h88 s LYS 85 Cb 0.00 -3.33 -0.09 0.00 -1.51 0.00 0.00 37.83 32.90 3h88 s LYS 85 CO 0.00 -0.34 1.02 -1.25 -0.36 0.00 0.00 175.35 174.42 3h88 s PRO 86 N 1.17 4.08 0.06 4.03 0.04 -1.26 -1.36 135.00 141.76 3h88 s PRO 86 Ca 0.61 1.39 0.07 0.00 0.04 0.00 0.00 61.00 63.11 3h88 s PRO 86 Cb -0.32 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.84 3h88 s PRO 86 CO 0.29 -0.20 -0.19 -0.51 0.04 0.00 0.00 177.00 176.44 3h88 s LEU 87 N -2.97 2.22 -0.11 -3.56 1.43 0.32 -4.59 118.68 111.41 3h88 s LEU 87 Ca 0.61 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 3h88 s LEU 87 Cb -0.18 -0.83 0.01 0.00 0.03 0.00 0.00 46.19 45.22 3h88 s LEU 87 CO 0.23 0.08 -0.19 -0.22 0.23 0.00 0.00 176.35 176.47 3h88 s LEU 88 N -1.44 1.94 -0.05 1.79 2.96 -1.26 -1.06 118.68 121.55 3h88 s LEU 88 Ca 0.05 -0.50 0.06 0.00 -0.22 0.00 0.00 54.13 53.52 3h88 s LEU 88 Cb -0.09 -1.26 -0.01 0.00 0.50 0.00 0.00 46.19 45.33 3h88 s LEU 88 CO 0.02 0.08 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.27 3h88 s ILE 89 N 0.71 2.18 0.12 6.68 1.01 -0.41 -4.92 121.20 126.57 3h88 s ILE 89 Ca -0.11 -1.03 -0.01 0.00 0.00 0.00 0.00 60.65 59.50 3h88 s ILE 89 Cb -0.16 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 3h88 s ILE 89 CO 0.02 0.57 0.29 -0.76 0.00 0.00 0.00 174.94 175.07 3h88 s LEU 90 N -0.31 4.31 0.00 2.97 1.43 -1.26 -0.99 118.68 124.83 3h88 s LEU 90 Ca 0.01 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 3h88 s LEU 90 Cb -0.13 -3.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.01 3h88 s LEU 90 CO 0.02 0.09 0.20 -1.54 0.23 0.00 0.00 176.35 175.34 3h88 n SER 91 N -0.06 -0.52 0.00 2.29 3.41 0.50 -4.65 113.62 114.58 3h88 n SER 91 Ca -0.05 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.41 3h88 n SER 91 Cb 0.52 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.56 3h88 n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h88 n GLY 92 N -0.34 2.07 0.17 5.00 0.00 -1.26 -1.69 105.19 109.14 3h88 n GLY 92 Ca 0.03 -0.42 0.02 0.00 0.00 0.00 0.00 46.02 45.65 3h88 n GLY 92 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3h88 h GLN 93 N 0.00 0.00 -0.29 1.61 5.75 -1.95 -2.32 115.11 117.91 3h88 h GLN 93 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3h88 h GLN 93 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 3h88 h GLN 93 CO 0.00 0.43 0.15 0.00 -2.65 0.00 0.00 178.83 176.77 3h88 h ALA 94 N 1.57 0.37 -0.79 3.38 0.00 -1.80 -0.21 119.26 121.77 3h88 h ALA 94 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3h88 h ALA 94 Cb 0.78 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3h88 h ALA 94 CO 0.06 -0.10 0.45 0.00 0.00 0.00 0.00 179.25 179.66 3h88 h ALA 95 N 1.03 1.31 -0.32 0.00 0.00 -0.93 -0.14 119.26 120.21 3h88 h ALA 95 Ca 0.10 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3h88 h ALA 95 Cb 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3h88 h ALA 95 CO -0.02 0.58 -0.05 0.93 0.00 0.00 0.00 179.25 180.69 3h88 h GLU 96 N 1.10 0.59 -0.63 0.00 4.39 -0.89 -1.23 114.58 117.92 3h88 h GLU 96 Ca 0.28 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3h88 h GLU 96 Cb -0.01 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 3h88 h GLU 96 CO -0.05 0.76 0.35 -0.07 -1.16 0.00 0.00 179.01 178.85 3h88 h LEU 97 N 0.38 0.78 -1.37 1.33 3.38 -0.96 -2.10 115.31 116.74 3h88 h LEU 97 Ca 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3h88 h LEU 97 Cb 0.53 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3h88 h LEU 97 CO 0.03 0.64 0.25 0.00 0.09 0.00 0.00 178.44 179.45 3h88 h ALA 98 N 1.17 1.52 -0.38 1.53 0.00 -0.89 -1.40 119.26 120.82 3h88 h ALA 98 Ca 0.22 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3h88 h ALA 98 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3h88 h ALA 98 CO -0.04 0.39 -0.10 0.77 0.00 0.00 0.00 179.25 180.27 3h88 h SER 99 N 0.68 0.75 -0.61 0.00 0.02 -0.73 -0.37 113.55 113.28 3h88 h SER 99 Ca 0.17 -0.37 0.09 0.00 -0.84 0.00 0.00 61.79 60.84 3h88 h SER 99 Cb 0.05 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 3h88 h SER 99 CO -0.03 0.94 0.41 1.56 -1.14 0.00 0.00 176.83 178.58 3h88 h GLN 100 N 0.55 0.46 -0.00 3.45 4.20 -0.93 -0.68 115.11 122.16 3h88 h GLN 100 Ca 0.10 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3h88 h GLN 100 Cb 0.62 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3h88 h GLN 100 CO 0.04 0.31 -0.16 1.28 -0.67 0.00 0.00 178.83 179.63 3h88 n LEU 101 N -4.48 0.35 -2.39 1.46 4.77 -0.57 -4.92 117.00 111.22 3h88 n LEU 101 Ca 0.10 0.14 -0.18 0.00 -0.03 0.00 0.00 56.01 56.03 3h88 n LEU 101 Cb 0.33 -0.28 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 3h88 n LEU 101 CO 0.34 0.07 -0.04 0.00 -1.33 0.00 0.00 177.39 176.43 3h88 n GLN 102 N -1.21 -3.50 -1.72 3.23 6.02 -0.26 -4.87 117.38 115.06 3h88 n GLN 102 Ca 0.11 0.76 -0.42 0.00 -0.01 0.00 0.00 57.00 57.44 3h88 n GLN 102 Cb 0.30 -5.27 -0.03 0.00 1.02 0.00 0.00 30.24 26.27 3h88 n GLN 102 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3h88 s VAL 103 N -3.02 2.38 -0.01 5.09 1.01 -0.23 -4.41 120.40 121.21 3h88 s VAL 103 Ca 0.20 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.22 3h88 s VAL 103 Cb -0.09 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 3h88 s VAL 103 CO 0.25 0.00 0.03 -0.62 0.00 0.00 0.00 175.10 174.75 3h88 n GLU 104 N 5.19 0.65 -3.84 2.72 1.02 0.26 -4.85 120.64 121.78 3h88 n GLU 104 Ca 0.17 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.18 3h88 n GLU 104 Cb 0.37 -0.98 -0.14 0.00 -0.02 0.00 0.00 31.44 30.67 3h88 n GLU 104 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3h88 s ASN 105 N -2.03 -0.04 -0.08 1.62 -0.87 -0.90 -5.02 114.94 107.62 3h88 s ASN 105 Ca -0.00 0.10 0.03 0.00 -1.57 0.00 0.00 52.86 51.41 3h88 s ASN 105 Cb 0.01 0.08 0.01 0.00 -0.02 0.00 0.00 41.25 41.33 3h88 s ASN 105 CO 0.05 -0.03 -0.16 -0.63 -2.57 0.00 0.00 177.10 173.76 3h88 s ILE 106 N 0.19 1.41 -0.02 0.60 1.01 -1.26 -0.58 121.20 122.55 3h88 s ILE 106 Ca -0.01 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.06 3h88 s ILE 106 Cb -0.02 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 3h88 s ILE 106 CO -0.01 0.42 -0.19 -1.00 0.00 0.00 0.00 174.94 174.16 3h88 s HIS 107 N 0.61 1.78 -0.02 3.97 3.76 0.18 -4.78 115.29 120.79 3h88 s HIS 107 Ca -0.15 -0.37 0.01 0.00 -0.15 0.00 0.00 55.06 54.40 3h88 s HIS 107 Cb -0.16 -1.15 0.01 0.00 1.11 0.00 0.00 32.58 32.39 3h88 s HIS 107 CO 0.05 -0.06 -0.03 -1.17 -0.85 0.00 0.00 174.74 172.68 3h88 s LEU 108 N -0.38 1.58 0.05 0.89 2.96 -1.26 -0.94 118.68 121.59 3h88 s LEU 108 Ca 0.05 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 3h88 s LEU 108 Cb -0.08 -0.28 -0.03 0.00 0.50 0.00 0.00 46.19 46.30 3h88 s LEU 108 CO -0.00 -0.02 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.35 3h88 s SER 109 N 0.48 1.24 0.03 3.68 0.15 -0.68 -4.63 113.70 113.97 3h88 s SER 109 Ca -0.05 -0.57 0.03 0.00 0.70 0.00 0.00 55.95 56.06 3h88 s SER 109 Cb -0.09 -0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.20 3h88 s SER 109 CO -0.01 -0.14 -0.11 -0.63 1.20 0.00 0.00 173.24 173.56 3h88 s ILE 110 N -1.31 0.81 -0.07 6.45 1.01 -1.26 -1.38 121.20 125.45 3h88 s ILE 110 Ca -0.06 -0.89 -0.17 0.00 0.00 0.00 0.00 60.65 59.53 3h88 s ILE 110 Cb -0.10 -0.77 0.04 0.00 0.01 0.00 0.00 42.46 41.63 3h88 s ILE 110 CO 0.01 -0.10 0.39 -0.55 0.00 0.00 0.00 174.94 174.70 3h88 s SER 111 N -1.11 -0.34 0.05 3.58 0.15 -1.26 -5.01 113.70 109.76 3h88 s SER 111 Ca -0.02 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.09 3h88 s SER 111 Cb -0.07 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.75 3h88 s SER 111 CO 0.01 -0.35 -0.05 1.51 1.20 0.00 0.00 173.24 175.56 3h88 s ASP 112 N -0.71 0.62 0.00 5.45 -4.77 -1.26 -4.41 116.67 111.58 3h88 s ASP 112 Ca -0.08 -0.76 0.00 0.00 -3.30 0.00 0.00 52.55 48.41 3h88 s ASP 112 Cb -0.04 0.12 0.00 0.00 -1.09 0.00 0.00 42.92 41.91 3h88 s ASP 112 CO 0.03 -0.40 0.00 -1.84 0.70 0.00 0.00 175.17 173.66 3h88 n GLU 113 N 0.81 2.16 -0.15 2.11 -0.00 -0.16 -4.99 120.64 120.42 3h88 n GLU 113 Ca -0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 57.16 56.94 3h88 n GLU 113 Cb 0.58 0.00 0.06 0.00 -0.00 0.00 0.00 31.44 32.08 3h88 n GLU 113 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3h88 h ARG 114 N 0.00 0.31 0.00 3.44 2.43 -2.04 -3.27 114.38 115.25 3h88 h ARG 114 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3h88 h ARG 114 Cb 0.00 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3h88 h ARG 114 CO 0.00 0.20 -1.71 0.72 -1.51 0.00 0.00 179.97 177.67 3h88 n HIS 115 N -5.03 0.00 -4.28 2.20 8.25 -1.26 -4.90 115.22 110.19 3h88 n HIS 115 Ca 0.05 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.33 3h88 n HIS 115 Cb 0.20 -0.36 -0.14 0.00 1.12 0.00 0.00 29.99 30.81 3h88 n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3h88 s TYR 116 N -3.06 0.73 0.48 4.41 2.02 -1.23 -0.97 117.35 119.74 3h88 s TYR 116 Ca -0.06 -0.18 0.06 0.00 -0.37 0.00 0.00 57.07 56.51 3h88 s TYR 116 Cb 0.10 -0.46 -0.00 0.00 -0.40 0.00 0.00 41.96 41.19 3h88 s TYR 116 CO 0.64 -0.01 0.26 0.00 -1.57 0.00 0.00 175.55 174.87 3h88 s ALA 117 N -0.35 4.07 -0.27 3.71 0.00 -0.32 -0.98 121.76 127.61 3h88 s ALA 117 Ca 0.02 -1.45 -0.32 0.00 0.00 0.00 0.00 51.96 50.21 3h88 s ALA 117 Cb -0.04 -0.52 0.18 0.00 0.00 0.00 0.00 23.12 22.74 3h88 s ALA 117 CO -0.00 -0.27 1.34 0.00 0.00 0.00 0.00 175.76 176.83 3h88 s ALA 119 N -2.71 -2.13 0.01 0.00 0.00 -0.76 -0.29 121.76 115.88 3h88 s ALA 119 Ca 0.33 1.86 0.02 0.00 0.00 0.00 0.00 51.96 54.18 3h88 s ALA 119 Cb 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 3h88 s ALA 119 CO 0.19 -0.34 -0.08 0.99 0.00 0.00 0.00 175.76 176.52 3h88 s THR 120 N -1.36 0.62 0.00 0.00 2.01 -0.48 -1.75 115.64 114.69 3h88 s THR 120 Ca 0.09 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.56 3h88 s THR 120 Cb -0.01 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 3h88 s THR 120 CO -0.06 0.01 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.08 3h88 s VAL 121 N -0.53 0.92 -0.06 3.82 1.01 -0.22 -1.69 120.40 123.66 3h88 s VAL 121 Ca -0.00 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3h88 s VAL 121 Cb -0.05 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.55 3h88 s VAL 121 CO 0.00 0.16 -0.10 -0.63 0.00 0.00 0.00 175.10 174.53 3h88 s ILE 122 N -0.45 0.96 -0.17 2.22 1.01 -0.11 -1.07 121.20 123.59 3h88 s ILE 122 Ca 0.03 -0.38 -0.08 0.00 0.00 0.00 0.00 60.65 60.22 3h88 s ILE 122 Cb -0.05 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 3h88 s ILE 122 CO 0.00 0.31 0.11 -0.76 0.00 0.00 0.00 174.94 174.60 3h88 s LEU 123 N 0.68 4.11 0.09 2.97 1.43 -0.52 -0.65 118.68 126.81 3h88 s LEU 123 Ca -0.13 0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.30 3h88 s LEU 123 Cb -0.15 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 3h88 s LEU 123 CO 0.03 0.25 -0.19 -1.83 0.23 0.00 0.00 176.35 174.84 3h88 s GLU 124 N -0.09 1.06 0.00 1.70 -1.05 0.25 -0.50 118.70 120.08 3h88 s GLU 124 Ca 0.09 -1.11 0.15 0.00 -0.15 0.00 0.00 54.97 53.95 3h88 s GLU 124 Cb -0.12 -1.27 0.12 0.00 -0.44 0.00 0.00 34.13 32.42 3h88 s GLU 124 CO 0.00 0.29 0.98 2.89 0.95 0.00 0.00 175.26 180.38